3-(4-butylsulfanylphenyl)-1-phenyl-pyrazole-4-carbaldehyde

Systemtic Name: 3-(4-butylsulfanylphenyl)-1-phenyl-pyrazole-4-carbaldehyde Openeye Name: 3-(4-butylsulfanylphenyl)-1-phenyl-pyrazole-4-carbaldehyde CAS Name: 3-[4-(butylthio)phenyl]-1-phenyl-4-pyrazolecarboxaldehyde IUPAC Name: 3-(4-butylsulfanylphenyl)-1-phenylpyrazole-4-carbaldehyde Traditional Name: 3-[4-(butylthio)phenyl]-1-phenyl-pyrazole-4-carbaldehyde Formula: C20H20N2OS MolecularWeight: 336.4506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2OS/c1-2-3-13-24-19-11-9-16(10-12-19)20-17(15-23)14-22(21-20)18-7-5-4-6-8-18/h4-12,14-15H,2-3,13H2,1H3